Consensus flow list

Identity

Type
Neutral molecule
CAS
97-59-6
EC
202-592-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Allantoin

Alternative labels

22

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string POJWUDADGALRAB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)
IUPAC name chemrof:IUPAC_name (2,5-Dioxo-4-imidazolidinyl)urea
Molecular formula chemrof:molecular_formula C4H6N4O3
Molecular mass chemrof:molecular_mass 158.117
Monoisotopic mass chemrof:monoisotopic_mass 158.04399
SMILES string chemrof:smiles_string NC(=O)NC1NC(=O)NC1=O

Known URLs

34

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=97-59-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:15676 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.358 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3020043 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB11100 enrich_references.pubchem_identifier_url
drugcentral drugcentral:4268 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/4268 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=757792 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7606 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL593429 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/344S277G0Z enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0000462 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.978K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C01551 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D00121 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C01551 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D00121 enrich_references.pubchem_identifier_url
knapsack knapsack:C00007468 enrich_references.chebi_xrefs
lincs.smallmolecule lincs.smallmolecule:LSM-5190 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=143220 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=ALLANTOIN enrich_references.chebi_xrefs
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C74277 enrich_references.pubchem_identifier_url
patent patent:US2158098 enrich_references.chebi_xrefs
pharmgkb.org https://www.pharmgkb.org/chemical/PA166178623 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL593429 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/204 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=011898 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11157020 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/14619112 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17190852 enrich_references.chebi_xrefs
reaxys reaxys:83514 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/508 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q409804 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Allantoin enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
f2747512-1453-4aa3-b3a5-5bad34d0e0b0 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
9aa46d78-63d8-4440-8cf5-f131056b8cf1 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
d88e0baa-8117-4416-bba1-ca0529704652 Environmental → Air → Indoor EF 3.1 kg 2
921f1491-b631-4708-ac4b-070400aced20 Environmental → Air → Long-term EF 3.1 kg 0
7fbbf8bb-a9c2-4b10-bce4-f027362be1cb Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
f31fe1e3-144b-464c-be59-52613b557e6d Environmental → Air → Unknown EF 3.1 kg 2
42d1670b-d7d6-4dc7-ace7-7d52254e0c29 Environmental → Ground → Agricultural EF 3.1 kg 2
f4818ea1-58f0-4128-82a1-f37509083b6d Environmental → Ground → Non-agricultural EF 3.1 kg 2
52277844-6bc8-42f5-90e8-1a2d85caddb2 Environmental → Ground → Unknown EF 3.1 kg 2
31602742-cfdb-4cb2-85a3-6140d21055e9 Environmental → Water → Long-term EF 3.1 kg 0
94125ac2-7f71-471d-bc1f-dcf6275428e5 Environmental → Water → Ocean EF 3.1 kg 2
78a54a6e-f2ed-41b0-ab40-955b22d2fd73 Environmental → Water → Surface water EF 3.1 kg 2
09c5d57b-88e6-44fc-96b3-0f140bd491cb Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-90f682e7231ff2d9",
  "prefLabel": [
    {
      "@value": "Allantoin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:97-59-6",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(2,5-Dioxo-4-imidazolidinyl)urea",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_15676"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(±)-Allantoin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:97-59-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=97-59-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-(2,5-dioxoimidazolidin-4-yl)urea",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "2,5-Dioxo-4-imidazolidinyl-urea",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_15676"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-ureido-2,5-imidazolidinedione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_15676"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "5-Ureido-2,4-imidazolidindione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_15676"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "5-Ureidohydantoin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_15676"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Allantion",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:97-59-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=97-59-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Allantol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:97-59-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=97-59-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cordianine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:97-59-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=97-59-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DL-Allantoin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:97-59-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=97-59-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Glyoxyldiureid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:97-59-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=97-59-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Glyoxyldiureide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_15676"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Glyoxylic diureide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=97-59-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "MeSH ID: D000481",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=97-59-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-(2,5-Dioxo-4-imidazolidinyl)urea",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N-(2,5-dioxoimidazolidin-4-yl)urea",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_15676"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Psoralon",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:97-59-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=97-59-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sebical",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:97-59-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=97-59-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Septalan",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:97-59-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=97-59-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Urea, (2,5-dioxo-4-imidazolidinyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "https://commonchemistry.cas.org/detail?cas_rn=97-59-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Urea, N-(2,5-dioxo-4-imidazolidinyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=97-59-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C4H6N4O3"
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      "attested_by": {
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      },
      "rdfs:label": "Molecular formula",
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          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
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          "prov:hadPrimarySource": [
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      ]
    },
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      "rdfs:label": "SMILES",
      "@value": [
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          "prov:wasGeneratedBy": "opsin_iupac",
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          "prov:hadPrimarySource": [
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          ]
        },
        {
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      "attested_by": {
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
        "POJWUDADGALRAB-UHFFFAOYSA-N"
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      },
      "rdfs:label": "InChIKey",
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    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "@value": [
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      ],
      "attested_by": {
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      },
      "rdfs:label": "Molecular mass",
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